Ion channel gating dynamics

Stochastic Hodgkin-Huxley model [1, 2]

[1] Huang et al. Phys. Rev. E 87 (2013) [2] Huang et al. Phys. Biol. 12 (2015)

Solvent accessible surface area

LCPO-NLR model [3-5]

[3] Huang et al. J. Phys. Chem. B 117 (2013) [4] Weiser et al. J. Comput. Chem. 19 (1998) [5] Weiser et al. J. Comput. Chem. 20 (1999)

Protein ionizable residue pKa prediction

DeepKa [1,2]

[5] Cai et al. ACS Omega 6 (2021) [6]Cai et al. J. Chem. Inf. Model. 63 (2023)